A Diagonally Updated Limited-Memory Quasi-Newton Method for the Weighted Density Approximation

A Diagonally Updated Limited-Memory Quasi-Newton Method for the Weighted Density Approximation

We propose a limited-memory quasi-Newton method using the bad Broyden update and apply it to the nonlinear equations that must be solved to determine the effective Fermi momentum in the weighted density approximation for the exchange energy density functional. This algorithm has advantages for nonli...

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Bibliographic Details
Main Authors: Matthew Chan, Rogelio Cuevas-Saavedra, Debajit Chakraborty, Paul W. Ayers
Format: Article
Language:English
Published: MDPI AG 2017-09-01
Series:Computation
Subjects:
weighted density approximation
limited memory quasi-Newton method
nonlinear systems of equations
bad Broyden method
density functional theory
exchange energy density functional
Online Access:https://www.mdpi.com/2079-3197/5/4/42

Internet

https://www.mdpi.com/2079-3197/5/4/42

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